The understanding of basic mechanisms of photoinduced dynamical processes in molecular materials is a prerequisite for their use in the fields of organic photovoltaics and organic electronics. In this project, high-level electronic structure calculations as well as quantum dynamical approaches will be used to investigate photoinduced charge and energy transport in building blocks of novel molecular materials. Specific processes to be studied, in close collaboration with experimental groups, include electron transfer in donor-acceptor complexes and singlet fission in molecular aggregates. (M. Thoss)

Research group of Prof. Thoss